Manganese in PDB 5cfu: Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin

The structure of Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin, PDB code: 5cfu was solved by D.Rodionov, A.V.Bassenden, A.M.Berghuis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.83 / 1.82
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.090, 41.910, 47.130, 90.00, 105.08, 90.00
R / Rfree (%)	13.8 / 17.2

The binding sites of Manganese atom in the Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin (pdb code 5cfu). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin, PDB code: 5cfu:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:27.4 occ:0.73 O7 A:51H203 2.0 20.5 1.0 OD1 A:ASP44 2.0 17.6 1.0 O3 A:POP204 2.1 18.6 1.0 O5 A:POP204 2.2 23.1 1.0 O A:HOH350 2.2 15.7 1.0 OD2 A:ASP46 2.2 13.4 1.0 CG A:ASP44 3.1 21.3 1.0 P1 A:POP204 3.1 23.8 1.0 CG A:ASP46 3.2 14.0 1.0 P A:51H203 3.4 20.4 1.0 P2 A:POP204 3.4 24.8 1.0 O2 A:POP204 3.4 24.3 1.0 OD1 A:ASP46 3.5 15.2 1.0 OD2 A:ASP44 3.6 24.9 1.0 O A:POP204 3.6 26.9 1.0 O A:HOH369 3.8 23.6 1.0 O A:ASP44 4.0 17.8 1.0 O8 A:51H203 4.1 18.9 1.0 O9 A:51H203 4.1 19.7 1.0 O A:HOH345 4.2 13.5 1.0 C14 A:51H203 4.3 17.1 1.0 N A:ASP44 4.3 20.8 1.0 O4 A:POP204 4.3 24.6 1.0 C A:ASP44 4.3 17.3 1.0 CB A:ASP44 4.4 19.8 1.0 N A:GLY28 4.4 14.9 1.0 O6 A:51H203 4.4 18.1 1.0 O6 A:POP204 4.5 24.2 1.0 O1 A:POP204 4.5 26.4 1.0 CB A:ASP46 4.5 11.9 1.0 CA A:ASP44 4.6 19.3 1.0 MN A:MN202 4.8 55.8 0.6 N A:ASP46 4.8 13.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:55.8 occ:0.64 O4 A:POP204 1.8 24.6 1.0 O8 A:51H203 1.9 18.9 1.0 O6 A:POP205 2.2 40.5 0.8 O A:HOH369 2.2 23.6 1.0 O3 A:POP205 2.2 36.1 0.8 O A:HOH389 2.3 26.3 1.0 P2 A:POP204 3.1 24.8 1.0 P A:51H203 3.3 20.4 1.0 P2 A:POP205 3.4 42.4 0.8 P1 A:POP205 3.4 41.0 0.8 O5 A:POP204 3.5 23.1 1.0 O A:POP205 3.7 53.1 0.8 NE2 A:HIS148 3.7 24.6 1.0 O7 A:51H203 3.9 20.5 1.0 N3 A:51H203 3.9 25.5 1.0 NZ A:LYS147 4.0 31.3 1.0 O A:POP204 4.1 26.9 1.0 O5 A:POP205 4.1 43.7 0.8 O1 A:POP205 4.2 44.9 0.8 O6 A:POP204 4.2 24.2 1.0 O9 A:51H203 4.2 19.7 1.0 N5 A:51H203 4.2 21.7 1.0 O6 A:51H203 4.3 18.1 1.0 O A:HOH456 4.4 49.2 1.0 C13 A:51H203 4.5 19.8 1.0 CE A:LYS147 4.5 31.9 1.0 O A:HOH425 4.5 39.8 1.0 O4 A:POP205 4.6 41.0 0.8 C19 A:51H203 4.6 20.1 1.0 O2 A:POP205 4.6 41.5 0.8 CE1 A:HIS148 4.6 24.5 1.0 CD2 A:HIS148 4.6 23.8 1.0 OD2 A:ASP43 4.7 49.2 1.0 CB A:ASP43 4.7 35.8 1.0 C12 A:51H203 4.8 22.9 1.0 MN A:MN201 4.8 27.4 0.7

D.Rodionov, A.V.Bassenden, A.M.Berghuis. Crystal Structure of Ant(2")-Ia in Complex with Adenylyl-2"-Tobramycin To Be Published.